2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol

C13H18FNO2 — CID 117237378

IUPAC2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(O)COc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-15-6-5-10(8-15)13(16)9-17-12-4-2-3-11(14)7-12/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyQTSQKNGSCRMKJU-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.52
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol

2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 117237378) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID117237378
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(O)COc2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO2/c1-15-6-5-10(8-15)13(16)9-17-12-4-2-3-11(14)7-12/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyQTSQKNGSCRMKJU-UHFFFAOYSA-N
XLogP1.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238363
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol (CID 117237378) is 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(C(O)COc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is QTSQKNGSCRMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15-6-5-10(8-15)13(16)9-17-12-4-2-3-11(14)7-12/h2-4,7,10,13,16H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117237378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).